Hydroxycinnamic acids and derivatives

Description:

Compounds containing an cinnamic acid (or a derivative thereof) where the benzene ring is hydroxylated.

Ancestors:

Organic compounds ⮕ Phenylpropanoids and polyketides ⮕ Cinnamic acids and derivatives ⮕ Hydroxycinnamic acids and derivatives

Plantainoside D
- ≥98%
Cas Number: 147331-98-4 Compound CID: 9986606

Formula: C₂₉H₃₆O₁₆ Molecular Weight: 640.59

IUPAC Name: [(2R,3R,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl show more

SMILES: C1=CC(=C(C=C1CCOC2C(C(C(C(O2)COC(=O)C=CC3=CC(=C(C=C3)O)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O)O

InChIKey: CBZYUWGJNYOKHT-ZKDZFUIGSA-N

InChI: InChI=1S/C29H36O16/c30-11-19-22(36)24(38)25(39)29(43-19)45-27-23(37)20(12-42-21(35)6-3-13-1-4-15(31)17(33)9-13)44-28(26(27)40)41-8-7-14-2-5-16(32)18(3show more
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KS370G
Cas Number: 105955-01-9 Compound CID: 11391937

Formula: C₁₇H₁₇NO₃ Molecular Weight: 283.32

IUPAC Name: (E)-3-(3,4-dihydroxyphenyl)-N-(2-phenylethyl)prop-2-enamide

SMILES: C1=CC=C(C=C1)CCNC(=O)C=CC2=CC(=C(C=C2)O)O

InChIKey: QOWABIXYAFJMQE-VQHVLOKHSA-N

InChI: InChI=1S/C17H17NO3/c19-15-8-6-14(12-16(15)20)7-9-17(21)18-11-10-13-4-2-1-3-5-13/h1-9,12,19-20H,10-11H2,(H,18,21)/b9-7+

Synonyms: N-trans-Caffeoyl phenethylamine | 3-(3,4-Dihydroxy-phenyl)-N-phenethyl-acrylamide | BDBM50429750 | 3-(3,4-dihydroxyph...

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N-p-trans-Coumaroyltyramine
- ≥98%
Cas Number: 36417-86-4 Compound CID: 5372945

Formula: C₁₇H₁₇NO₃ Molecular Weight: 283.32

IUPAC Name: (E)-3-(4-hydroxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide

SMILES: C1=CC(=CC=C1CCNC(=O)C=CC2=CC=C(C=C2)O)O

InChIKey: RXGUTQNKCXHALN-BJMVGYQFSA-N

InChI: InChI=1S/C17H17NO3/c19-15-6-1-13(2-7-15)5-10-17(21)18-12-11-14-3-8-16(20)9-4-14/h1-10,19-20H,11-12H2,(H,18,21)/b10-5+

Synonyms: (2E)-3-(4-Hydroxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-2-propenamide # | 2-Propenamide, 3-(4-hydroxyphenyl)-N-[2-(4-hy...
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Ferulic acid acyl-β-D-glucoside
Cas Number: 7196-71-6 Compound CID: 13962928

Formula: C₁₆H₂₀O₉ Molecular Weight: 356.32

IUPAC Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

SMILES: COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(C(C(O2)CO)O)O)O)O

InChIKey: JWRQVQWBNRGGPK-PMQCXRHVSA-N

InChI: InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)18)3-5-12(19)25-16-15(22)14(21)13(20)11(7-17)24-16/h2-6,11,13-18,20-22H,7H2,1H3/b5-3+/t11-,13-,14+,15-,16+/m1/show more

Synonyms: 1446756-47-3 | D93553 | DTXSID90873563 | NCGC00385766-01 | L-alpha-Dipalmitoylphosphatidylserine | A-D-glucoside | CH...

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artepillin C
Cas Number: 72944-19-5 Compound CID: 5472440

IUPAC Name: (E)-3-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]prop-2-enoic acid

SMILES: CC(=CCC1=CC(=CC(=C1O)CC=C(C)C)C=CC(=O)O)C

InChIKey: KABCFARPAMSXCC-JXMROGBWSA-N

InChI: InChI=1S/C19H24O3/c1-13(2)5-8-16-11-15(7-10-18(20)21)12-17(19(16)22)9-6-14(3)4/h5-7,10-12,22H,8-9H2,1-4H3,(H,20,21)/b10-7+

Synonyms: 2-Propenoic acid, 3-(4-hydroxy-3,5-bis(3-methyl-2-butenyl)phenyl)-, (E)- | ArtepillinC | Artepillin C | AT37734 | art...
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(3E)-4-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-oxobut-3-enoic acid
IUPAC Name: (3E)-4-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-oxobut-3-enoic acid

SMILES: OC(=O)C(=O)/C=C/c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C

InChIKey: XIQDGAUDNMVMCD-BQYQJAHWSA-N

InChI: InChI=1S/C18H24O4/c1-17(2,3)12-9-11(7-8-14(19)16(21)22)10-13(15(12)20)18(4,5)6/h7-10,20H,1-6H3,(H,21,22)/b8-7+

Synonyms: compound 14
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Calceolarioside A
- ≥95%(LC/MS-ELSD)
Cas Number: 84744-28-5 Compound CID: 5273566

Formula: C₂₃H₂₆O₁₁ Molecular Weight: 478.45

IUPAC Name: [(2R,3S,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

SMILES: C1=CC(=C(C=C1CCOC2C(C(C(C(O2)CO)OC(=O)C=CC3=CC(=C(C=C3)O)O)O)O)O)O

InChIKey: UHIGZYLCYRQESL-VJWFJHQPSA-N

InChI: InChI=1S/C23H26O11/c24-11-18-22(34-19(29)6-3-12-1-4-14(25)16(27)9-12)20(30)21(31)23(33-18)32-8-7-13-2-5-15(26)17(28)10-13/h1-6,9-10,18,20-28,30-31H,7-show more

Synonyms: CHEBI:177500 | [(2R,3S,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3...
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(E)-3-(3-Hydroxy-4-methoxyphenyl)acrylic acid
- ≥97%
Cas Number: 25522-33-2

Formula: C₁₀H₁₀O₄ Molecular Weight: 194.18

IUPAC Name: (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid

SMILES: COC1=C(C=C(C=C1)C=CC(=O)O)O

InChIKey: QURCVMIEKCOAJU-HWKANZROSA-N

InChI: InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+

Synonyms: DTXSID501009309 | Isoferulate | XSQ2K2G7MC | (E)-3-(3-hydroxy-4-methoxyphenyl)acrylicacid | DTXCID90908460 | Hesperet...
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3-(3-(Benzyloxy)phenyl)acrylic acid
- ≥97%
Cas Number: 122024-75-3

Formula: C₁₆H₁₄O₃ Molecular Weight: 254.28

IUPAC Name: (E)-3-(3-phenylmethoxyphenyl)prop-2-enoic acid

SMILES: C1=CC=C(C=C1)COC2=CC=CC(=C2)C=CC(=O)O

InChIKey: OFMOWGZEBJKDCT-MDZDMXLPSA-N

InChI: InChI=1S/C16H14O3/c17-16(18)10-9-13-7-4-8-15(11-13)19-12-14-5-2-1-3-6-14/h1-11H,12H2,(H,17,18)/b10-9+
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Ethyl 3-(2-methoxyphenyl)acrylate
- ≥97%
Cas Number: 33877-05-3 EC Number: ‘246-219-7; 251-710-4

Formula: C₁₂H₁₄O₃ Molecular Weight: 206.24

IUPAC Name: ethyl (E)-3-(2-methoxyphenyl)prop-2-enoate

SMILES: CCOC(=O)C=CC1=CC=CC=C1OC

InChIKey: ATAFSLBAINHGTN-CMDGGOBGSA-N

InChI: InChI=1S/C12H14O3/c1-3-15-12(13)9-8-10-6-4-5-7-11(10)14-2/h4-9H,3H2,1-2H3/b9-8+

Synonyms: Ethyl (2E)-3-(2-methoxyphenyl)-2-propenoate | W11624 | DTXSID201264009 | EINECS 246-219-7 | EN300-1453815 | methoxy e...
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3-(5-Fluoro-2-methoxyphenyl)acrylic acid
- ≥98%
Cas Number: 157518-45-1 Compound CID: 9990258

Formula: C₁₀H₉FO₃ Molecular Weight: 196.18

IUPAC Name: (E)-3-(5-fluoro-2-methoxyphenyl)prop-2-enoic acid

SMILES: COC1=C(C=C(C=C1)F)C=CC(=O)O

InChIKey: WWZPWGXNJORULY-GORDUTHDSA-N

InChI: InChI=1S/C10H9FO3/c1-14-9-4-3-8(11)6-7(9)2-5-10(12)13/h2-6H,1H3,(H,12,13)/b5-2+
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Ferulic acid-1,2,3-¹³C₃
- ≥99 atom% 13C,≥98%
Cas Number: 1261170-81-3

Formula: C₁₀H₁₀O₄ Molecular Weight: 194.18

IUPAC Name: 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid

SMILES: COC1=C(C=CC(=C1)C=CC(=O)O)O

InChIKey: KSEBMYQBYZTDHS-UHFFFAOYSA-N

InChI: InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)

Synonyms: KBioSS_001736 | SY013625 | KBio2_006872 | 1-Acetate 3,5-Bis(4-chlorobenzoate)-2-deoxy-D-erythro-pentofuranose | 3-(4-...
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